CID 164509

Talampanel

Structural Information

Molecular Formula
C19H19N3O3
SMILES
C[C@@H]1CC2=CC3=C(C=C2C(=NN1C(=O)C)C4=CC=C(C=C4)N)OCO3
InChI
InChI=1S/C19H19N3O3/c1-11-7-14-8-17-18(25-10-24-17)9-16(14)19(21-22(11)12(2)23)13-3-5-15(20)6-4-13/h3-6,8-9,11H,7,10,20H2,1-2H3/t11-/m1/s1
InChIKey
JACAAXNEHGBPOQ-LLVKDONJSA-N
Compound name
1-[(8R)-5-(4-aminophenyl)-8-methyl-8,9-dihydro-[1,3]dioxolo[4,5-h][2,3]benzodiazepin-7-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

101
References

5773
Patents

337.14264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.14992 181.0
[M+Na]+ 360.13186 189.1
[M-H]- 336.13536 189.6
[M+NH4]+ 355.17646 192.3
[M+K]+ 376.10580 190.2
[M+H-H2O]+ 320.13990 172.8
[M+HCOO]- 382.14084 196.5
[M+CH3COO]- 396.15649 191.3
[M+Na-2H]- 358.11731 182.9
[M]+ 337.14209 179.8
[M]- 337.14319 179.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe